(3R)-1-[(4-bromophenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(4-bromophenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-benzyl-1-[(4-bromophenyl)methyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(4-bromophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-benzyl-1-[(4-bromophenyl)methyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-benzyl-1-(4-bromobenzyl)-N-methyl-piperidin-1-ium-3-carboxamide Formula: C21H26BrN2O+ MolecularWeight: 402.34794

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O/c1-23(14-17-6-3-2-4-7-17)21(25)19-8-5-13-24(16-19)15-18-9-11-20(22)12-10-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3/p+1/t19-/m1/s1